N-cyclopropyl-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrimidin-2-amine

C22H22N8O — CID 118869507

IUPACN-cyclopropyl-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrimidin-2-amine
SMILESc1cc(-c2nccc3c(-c4cnc(NC5CC5)nc4)cc(N4CCOCC4)nc23)[nH]n1
InChIInChI=1S/C22H22N8O/c1-2-15(1)27-22-24-12-14(13-25-22)17-11-19(30-7-9-31-10-8-30)28-20-16(17)3-5-23-21(20)18-4-6-26-29-18/h3-6,11-13,15H,1-2,7-10H2,(H,26,29)(H,24,25,27)
InChIKeyKWLLDLSCDZOVJL-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.89
Rot. Bonds5

About N-cyclopropyl-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrimidin-2-amine

N-cyclopropyl-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrimidin-2-amine (PubChem CID 118869507) has the molecular formula C22H22N8O and a molecular weight of 414.47 g/mol. Its IUPAC name is N-cyclopropyl-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrimidin-2-amine
PubChem CID118869507
Molecular FormulaC22H22N8O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC NameN-cyclopropyl-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrimidin-2-amine
SMILESc1cc(-c2nccc3c(-c4cnc(NC5CC5)nc4)cc(N4CCOCC4)nc23)[nH]n1
InChIInChI=1S/C22H22N8O/c1-2-15(1)27-22-24-12-14(13-25-22)17-11-19(30-7-9-31-10-8-30)28-20-16(17)3-5-23-21(20)18-4-6-26-29-18/h3-6,11-13,15H,1-2,7-10H2,(H,26,29)(H,24,25,27)
InChIKeyKWLLDLSCDZOVJL-UHFFFAOYSA-N
XLogP2.89
TPSA104.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclopropyl-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrimidin-2-amine (CID 118869507) is N-cyclopropyl-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclopropyl-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclopropyl-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrimidin-2-amine is c1cc(-c2nccc3c(-c4cnc(NC5CC5)nc4)cc(N4CCOCC4)nc23)[nH]n1.
What is the InChIKey of N-cyclopropyl-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrimidin-2-amine?
The InChIKey is KWLLDLSCDZOVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O/c1-2-15(1)27-22-24-12-14(13-25-22)17-11-19(30-7-9-31-10-8-30)28-20-16(17)3-5-23-21(20)18-4-6-26-29-18/h3-6,11-13,15H,1-2,7-10H2,(H,26,29)(H,24,25,27).
What are the key properties of N-cyclopropyl-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrimidin-2-amine?
N-cyclopropyl-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrimidin-2-amine has a molecular weight of 414.47 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 118869507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).